Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.7137    1.5317   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    0.5000    0.4224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2094   -0.7058    0.1263 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8174   -0.8434    0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2413   -2.0598   -0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1261   -2.2225   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070   -1.1040   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924    0.1404    0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144    0.2417    0.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2744    1.3230    0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626    1.4321   -1.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1861    2.4629   -0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3684    0.6034    1.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8712   -2.9214   -0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5606   -3.2026   -0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9773   -1.2063   -0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4020    1.2067    0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5680    1.6687   -0.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1897    1.0282    0.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656    2.1270    0.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers